ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate

C14H28O3Si — CID 13265454

IUPACethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
SMILESCCOC(=O)CCC(C)/C(=C/O[Si](C)(C)C)CC
InChIInChI=1S/C14H28O3Si/c1-7-13(11-17-18(4,5)6)12(3)9-10-14(15)16-8-2/h11-12H,7-10H2,1-6H3/b13-11+
InChIKeyCTMJVUDDIPRBJC-ACCUITESSA-N
MW272.46 g/mol
LogP4.11
Rot. Bonds8

About ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate

ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate (PubChem CID 13265454) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate.

Molecular Properties

Compound Nameethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
PubChem CID13265454
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
SMILESCCOC(=O)CCC(C)/C(=C/O[Si](C)(C)C)CC
InChIInChI=1S/C14H28O3Si/c1-7-13(11-17-18(4,5)6)12(3)9-10-14(15)16-8-2/h11-12H,7-10H2,1-6H3/b13-11+
InChIKeyCTMJVUDDIPRBJC-ACCUITESSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-methylidenecyclohexane-1-carboxylate
CID 15151435
Ethyl 3-methylidenecyclohexane-1-carboxylate
CID 11819423
3-[2-(Trimethylsilylmethyl)prop-2-enyl]oxan-2-one
CID 10751748
ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate
CID 138979451
Methyl (4E)-2-methyl-4-[(trimethylsilyl)methylene]cyclopentanecarboxylate
CID 5368153
Cyclopentanecarboxylic acid, 2-methyl-4-(trimethylsilyl)methylene-, methyl ester, E,syn-
CID 5368154
2-Cyclohexene-1-propanoic acid, 3-[(trimethylsilyl)oxy]-, ethyl ester
CID 11011074
2-Ethylhexyl 5-methylhex-5-enoate
CID 19864976
Ethyl 4-(methoxymethylidene)cyclohexane-1-carboxylate
CID 53946815
Pentyl 4-methylidenecyclohexane-1-carboxylate
CID 59498966
3-Methylene-cyclohexanecarboxylic acid 2-trimethylsilanyl-ethyl ester
CID 59733752
Butyl 4-methylidenecyclohexane-1-carboxylate
CID 66827636

Frequently Asked Questions

What is the IUPAC name of ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate?
The IUPAC name of ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate (CID 13265454) is ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate.
What is the SMILES notation for ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate?
The canonical SMILES for ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate is CCOC(=O)CCC(C)/C(=C/O[Si](C)(C)C)CC.
What is the InChIKey of ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate?
The InChIKey is CTMJVUDDIPRBJC-ACCUITESSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-13(11-17-18(4,5)6)12(3)9-10-14(15)16-8-2/h11-12H,7-10H2,1-6H3/b13-11+.
What are the key properties of ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate?
ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate has a molecular weight of 272.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate is sourced from PubChem (CID 13265454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).